1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C13H26FN3 — CID 170952005

IUPAC1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(F)(CN2CCNCC2)CC1
InChIInChI=1S/C13H26FN3/c1-12(2)17-7-3-13(14,4-8-17)11-16-9-5-15-6-10-16/h12,15H,3-11H2,1-2H3
InChIKeyRXOIAGKFNBTUMO-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.10
Rot. Bonds3

About 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine

1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 170952005) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID170952005
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(F)(CN2CCNCC2)CC1
InChIInChI=1S/C13H26FN3/c1-12(2)17-7-3-13(14,4-8-17)11-16-9-5-15-6-10-16/h12,15H,3-11H2,1-2H3
InChIKeyRXOIAGKFNBTUMO-UHFFFAOYSA-N
XLogP1.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
1-[(1-fluorocyclopentyl)methyl]piperazine
CID 126845904
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
CID 176562277
1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845662
7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
CID 176563302
1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 166113547
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845725
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 170952005) is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)N1CCC(F)(CN2CCNCC2)CC1.
What is the InChIKey of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is RXOIAGKFNBTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-12(2)17-7-3-13(14,4-8-17)11-16-9-5-15-6-10-16/h12,15H,3-11H2,1-2H3.
What are the key properties of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 243.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 170952005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).